Molecule

ID:90165

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂O₂S
Molecular Mass
322.46554
Exact Mass
322.17149908
Charge
0
InChI
InChI=1S/C17H26N2O2S/c1-12-10-13(2)16(14(3)11-12)22(20,21)19-18-15-6-8-17(4,5)9-7-15/h10-11,19H,6-9H2,1-5H3
InChIKey
XZFUKFQEVYZHCP-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)S(=O)(=O)NN=C1CCC(CC1)(C)C
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1C)C)C)NN=C1CCC(CC1)(C)C
Calculated Properties
JChem
Acid pKa
10.249578
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.648352
LogD (pH = 7.4)
4.652629
Log P
4.6483016
Molar Refractivity
91.0677
Polarizability
35.62364
Polar Surface Area
58.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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